MolNFT v1 · #50305 · protein

Crystal structure of the loading gnatl domain of cura from lyngbya majuscula soaked with malonyl-CoA

2REF: “Crystal structure of the loading gnatl domain of cura from lyngbya majuscula soaked with malonyl-CoA”. X-ray diffraction, 1 ligand (ACO), 1 pocket (best druggability 0.83). MolNFT v1 #50305 on GenesisL1: 3D structure, binding sites…

PDB: 2REF
Type: protein
Length: 406 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cura
EC: 2.3.1.38, 4.1.1.9
UniProt: Q6DNF2
Ligands: ACO
Pockets: 1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cura (EC 2.3.1.38, 4.1.1.9)	protein	203	34% helix, 25% strand	Q6DNF2

Ligands and binding sites

ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1200	0.83	0.84	128	ACO

Interfaces

1 interface between chains.

A–B · 1032 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

2REF · Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q6DNF2
Elsewhere: RCSB PDB 2REF · PDBe 2REF · UniProt Q6DNF2

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